| SpectraBase Compound ID | Ll9hExfs1cV |
|---|---|
| InChI | InChI=1S/C10H17F3O2/c1-7(2)5-4-6-8(3)15-9(14)10(11,12)13/h7-8H,4-6H2,1-3H3 |
| InChIKey | MGJQNXZWOAWQEH-UHFFFAOYSA-N |
| Mol Weight | 226.24 g/mol |
| Molecular Formula | C10H17F3O2 |
| Exact Mass | 226.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62XD8LudIiO |
|---|---|
| Name | 6-Methyl-2-heptanol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.118064274 u |
| Formula | C10H17F3O2 |
| InChI | InChI=1S/C10H17F3O2/c1-7(2)5-4-6-8(3)15-9(14)10(11,12)13/h7-8H,4-6H2,1-3H3 |
| InChIKey | MGJQNXZWOAWQEH-UHFFFAOYSA-N |
| Molecular Weight | 226.239 g/mol |
| SMILES | CC(CCCC(C)OC(C(F)(F)F)=O)C |